2-(2-amino-N-butylsulfonylanilino)acetic acid

C12H18N2O4S — CID 55176952

IUPAC2-(2-amino-N-butylsulfonylanilino)acetic acid
SMILESCCCCS(=O)(=O)N(CC(=O)O)c1ccccc1N
InChIInChI=1S/C12H18N2O4S/c1-2-3-8-19(17,18)14(9-12(15)16)11-7-5-4-6-10(11)13/h4-7H,2-3,8-9,13H2,1H3,(H,15,16)
InChIKeyALOUFZODCSBCNL-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.29
Rot. Bonds7

About 2-(2-amino-N-butylsulfonylanilino)acetic acid

2-(2-amino-N-butylsulfonylanilino)acetic acid (PubChem CID 55176952) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-(2-amino-N-butylsulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-amino-N-butylsulfonylanilino)acetic acid
PubChem CID55176952
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-(2-amino-N-butylsulfonylanilino)acetic acid
SMILESCCCCS(=O)(=O)N(CC(=O)O)c1ccccc1N
InChIInChI=1S/C12H18N2O4S/c1-2-3-8-19(17,18)14(9-12(15)16)11-7-5-4-6-10(11)13/h4-7H,2-3,8-9,13H2,1H3,(H,15,16)
InChIKeyALOUFZODCSBCNL-UHFFFAOYSA-N
XLogP1.29
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-N-(2-propan-2-yloxyethylsulfonyl)anilino]acetic acid
CID 79592409
2-[2-amino-N-(propylsulfamoyl)anilino]acetic acid
CID 114804778
2-(2-amino-N-pentanoylanilino)acetic acid
CID 63118152
2-[2-amino-N-(methoxycarbonylsulfamoyl)anilino]acetic acid
CID 114461718
N-(2-aminophenyl)-3-methoxy-N-propylpropane-1-sulfonamide
CID 55171150
N-(2-aminophenyl)-N-ethyl-3-methoxypropane-1-sulfonamide
CID 55170956
2-(2-amino-N-pyrrolidin-1-ylsulfonylanilino)acetic acid
CID 63118246
2-(2-amino-N-(5-methylthiophen-2-yl)sulfonylanilino)acetic acid
CID 63118245
4-[butyl(phenyl)sulfamoyl]butanoic acid
CID 43619879
N-(2-aminophenyl)-N-ethyl-1,1-difluoromethanesulfonamide
CID 62102958
2-(N-(4-methoxy-4-oxobutyl)sulfonylanilino)acetic acid
CID 61457220
3-(2-amino-N-[methyl(propan-2-yl)sulfamoyl]anilino)propanoic acid
CID 63118493

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-butylsulfonylanilino)acetic acid?
The IUPAC name of 2-(2-amino-N-butylsulfonylanilino)acetic acid (CID 55176952) is 2-(2-amino-N-butylsulfonylanilino)acetic acid.
What is the SMILES notation for 2-(2-amino-N-butylsulfonylanilino)acetic acid?
The canonical SMILES for 2-(2-amino-N-butylsulfonylanilino)acetic acid is CCCCS(=O)(=O)N(CC(=O)O)c1ccccc1N.
What is the InChIKey of 2-(2-amino-N-butylsulfonylanilino)acetic acid?
The InChIKey is ALOUFZODCSBCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-2-3-8-19(17,18)14(9-12(15)16)11-7-5-4-6-10(11)13/h4-7H,2-3,8-9,13H2,1H3,(H,15,16).
What are the key properties of 2-(2-amino-N-butylsulfonylanilino)acetic acid?
2-(2-amino-N-butylsulfonylanilino)acetic acid has a molecular weight of 286.35 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-butylsulfonylanilino)acetic acid is sourced from PubChem (CID 55176952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).